N-cyclopropyl-2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 213060
• Molecular Formular: C17H19NO4
• Molecular Mass: 301.33706
• Monoisotopic Mass: 301.13140809
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OC)C)CC(=O)NC1CC1
• Canonical SMILES: COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)NC1CC1
• InChI: InChI=1S/C17H19NO4/c1-9-12-6-7-14(21-3)10(2)16(12)22-17(20)13(9)8-15(19)18-11-4-5-11/h6-7,11H,4-5,8H2,1-3H3,(H,18,19)
• InChIKey: NSYLHVTYBDKJRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164268970
• PubChem CID: 4966485

CALCULATED PROPERTIES

• Acid pKa: 14.620039
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8406796
• LogD (pH = 7.4): 1.8406796
• Log P: 1.8406798
• Molar Refractivity: 81.8886 cm^3
• Polarizability: 31.52631 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds